(2S)-2-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: (2S)-2-[(4-chloro-3-sulfamoyl-benzoyl)amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-2-[[(4-chloro-3-sulfamoylphenyl)-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-[(4-chloro-3-sulfamoyl-benzoyl)amino]-3-(4-hydroxyphenyl)propionic acid Formula: C16H15ClN2O6S MolecularWeight: 398.8181

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)O

InChI

InChI=1S/C16H15ClN2O6S/c17-12-6-3-10(8-14(12)26(18,24)25)15(21)19-13(16(22)23)7-9-1-4-11(20)5-2-9/h1-6,8,13,20H,7H2,(H,19,21)(H,22,23)(H2,18,24,25)/t13-/m0/s1